LIPID MAPS

Structure Database (LMSD)

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Common Name

Rebaudioside J

Systematic Name

Synonyms

LM ID

LMPR01040137

Formula

C₅₀H₈₀O₂₇

Exact Mass

Calculate m/z

1112.488705

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Stevia rebaudiana (#55670)

Magnoliopsida (#3398)

Steviol glycosides: chemical diversity, metabolism, and function.,
J Nat Prod, 2013

Pubmed ID: 23713723

String Representations

InChiKey (Click to copy)

HINSNOJRHFIMKB-DJDMUFINSA-N

InChi (Click to copy)

InChI=1S/C50H80O27/c1-18-12-49-10-6-24-47(3,8-5-9-48(24,4)46(67)76-44-39(34(63)29(58)22(15-53)71-44)74-41-35(64)31(60)26(55)19(2)68-41)25(49)7-11-50(18,17-49)77-45-40(75-43-37(66)33(62)28(57)21(14-52)70-43)38(30(59)23(16-54)72-45)73-42-36(65)32(61)27(56)20(13-51)69-42/h19-45,51-66H,1,5-17H2,2-4H3/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,44-,45-,47+,48+,49+,50-/m0/s1

SMILES (Click to copy)

[C@@]123CC([C@](O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O)CO)(CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O[C@H]4[C@H](O[C@@H]5O[C@H]([C@@H]([C@@H](O)[C@H]5O)O)C)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)[C@@]1([H])CC2)C3)=C